(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole

C13H16N2 — CID 11481080

IUPAC(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NC[C@@H](CC2Cc3ccccc3C2)N1
InChIInChI=1S/C13H16N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-4,9-10,13H,5-8H2,(H,14,15)/t13-/m1/s1
InChIKeyOOIBKWSVXJWTHR-CYBMUJFWSA-N
MW200.29 g/mol
LogP1.79
Rot. Bonds2

About (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole

(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 11481080) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID11481080
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NC[C@@H](CC2Cc3ccccc3C2)N1
InChIInChI=1S/C13H16N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-4,9-10,13H,5-8H2,(H,14,15)/t13-/m1/s1
InChIKeyOOIBKWSVXJWTHR-CYBMUJFWSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
CID 142035491
5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 10492867
5-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-4,5-dihydro-1H-imidazole
CID 10727273
(5S)-5-[[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]methyl]-4,5-dihydro-1H-imidazole;(E)-but-2-enedioic acid
CID 70274216
2-(fluoromethyl)-2,3-dihydro-1H-indene
CID 90836349
2-[(4-methylcyclohexyl)methyl]-2,3-dihydro-1H-indene
CID 143683497
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
2,3-dihydro-1H-inden-2-ylmethanol;ethane
CID 91145840
4-[1-[1-[6-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]quinolin-1-ium-5-yl]ethyl]-1,3-dihydroimidazole-2-thione
CID 123409808
5-(2,3-dihydro-1H-inden-2-ylmethyl)-2H-tetrazole
CID 54265657
2-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 142221573
5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole
CID 123752238

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 11481080) is (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole is C1=NC[C@@H](CC2Cc3ccccc3C2)N1.
What is the InChIKey of (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is OOIBKWSVXJWTHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-4,9-10,13H,5-8H2,(H,14,15)/t13-/m1/s1.
What are the key properties of (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
(5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 200.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,3-dihydro-1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11481080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).